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Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modelled using explicit all-atom potentials using a rigid body approximation. The PAH's considered range from pyrene (C10H8) to circumcoronene (C54H18), and clusters containing…

Chemical Physics · Physics 2016-09-28 M. Rapacioli , F. Calvo , F. Spiegelman , C. Joblin , D. J. Wales

Polycyclic aromatic hydrocarbons (PAHs) have been detected in numerous circumstellar discs. We propose the continuous processing of PAHs through clustering, adsorption on dust grains, and their reverse-processes as key mechanisms to reduce…

Earth and Planetary Astrophysics · Physics 2023-07-05 K. Lange , C. Dominik , A. G. G. M. Tielens

We present a comparison of observed polycyclic aromatic hydrocarbon (PAH) feature ratios in 19 nearby galaxies with a grid of theoretical expectations for near- and mid-infrared dust emission. The PAH feature ratios are drawn from Cycle 1…

We present a new methodology for simulating mid-infrared emission from polycyclic aromatic hydrocarbons (PAHs) in galaxy evolution simulations. To do this, we combine theoretical models of PAH emission features as they respond to varying…

Unimolecular evaporation in rotating atomic clusters is investigated using phase space theory (PST) and molecular dynamics simulations. The rotational densities of states are calculated in the sphere+atom approximation, and analytical…

Chemical Physics · Physics 2007-05-23 F. Calvo , P. Parneix

Context. In photo-dissociation regions (PDRs), Polycyclic Aromatic Hydrocarbons (PAHs) could be produced by evaporation of Very Small Grains (VSGs) by the impinging UV radiation field from a nearby star. Aims. We investigate quantitatively…

Astrophysics of Galaxies · Physics 2015-06-04 P. Pilleri , J. Montillaud , O. Berné , C. Joblin

Polycyclic aromatic hydrocarbons (PAHs) are believed to be ubiquitous in the interstellar medium. Yet, to date no specific PAH molecule has been identified. In this paper, a new observational avenue is suggested to detect individual PAHs,…

Astrophysics of Galaxies · Physics 2015-08-21 Yacine Ali-Haïmoud

In this work, we study the photodissociation processes of small PAH clusters (e.g., pyrene clusters). The experiments are carried out using a quadrupole ion trap in combination with time-of-flight (QIT-TOF) mass spectrometry. The results…

Instrumentation and Methods for Astrophysics · Physics 2018-09-27 Junfeng Zhen , Tao Chen , Alexander G. G. M. Tielens

We present the results of a computational study to investigate the infrared spectroscopic properties of a large number of polycyclic aromatic hydrocarbon (PAH) molecules and their fully dehydrogenated counterparts. We constructed a database…

Astrophysics of Galaxies · Physics 2015-06-23 C. J. Mackie , E. Peeters , C. W. Bauschlicher , J. Cami

As a part of interstellar dust, polycyclic aromatic hydrocarbons (PAHs) are processed by the interaction with vacuum ultraviolet (VUV) photons that are emitted by hot young stars. This interaction leads to the emission of the well-known…

We present a new method to accurately describe the ionization fraction and the size distribution of polycyclic aromatic hydrocarbons (PAHs) within astrophysical sources. To this purpose, we have computed the mid-infrared emission spectra of…

Astrophysics of Galaxies · Physics 2020-03-18 A. Maragkoudakis , E. Peeters , A. Ricca

The competition between the formation and destruction of coronene clusters under interstellar conditions is investigated theoretically. The unimolecular nucleation of neutral clusters is simulated with an atomic model combining an explicit…

Astrophysics · Physics 2009-11-11 M. Rapacioli , F. Calvo , C. Joblin , P. Parneix , D. Toublanc , F. Spiegelman

The infrared signature of polycyclic aromatic hydrocarbons (PAHs) are present in many protostellar disks and these speciesare thought to play an important role in heating of the gas in the photosphere. We aim to consider PAH cluster…

Earth and Planetary Astrophysics · Physics 2021-09-01 K. Lange , C. Dominik , A. G. G. M. Tielens

Polycyclic Aromatic Hydrocarbons (PAHs) are believed to be the small-size tail of the interstellar carbonaceous dust grain population. Their vibrational emission is the most widely accepted source of the aromatic near-infrared features, and…

Astrophysics of Galaxies · Physics 2015-08-21 Yacine Ali-Haïmoud , Laura Pérez , Ronald Maddalena , Anish Roshi

We have obtained new STIS/HST spectra to search for structure in the ultraviolet interstellar extinction curve, with particular emphasis on a search for absorption features produced by polycyclic aromatic hydrocarbons (PAHs). The presence…

We present a new method to decompose the emission features of polycyclic aromatic hydrocarbons (PAHs) from mid-infrared spectra using theoretical PAH templates in conjunction with modified blackbody components for the dust continuum and an…

Astrophysics of Galaxies · Physics 2018-06-26 Yanxia Xie , Luis C. Ho , Aigen Li , Jinyi Shangguan

Infrared (IR) absorption spectra of individual polycyclic aromatic hydrocarbons (PAHs) containing methyl (-CH3), methylene (>CH2), or diamond-like *CH groups and IR spectra of mixtures of methylated and hydrogenated PAHs prepared by gas…

Only 8% of the protoplanetary discs orbiting a T Tauri star show emission features of polycyclic aromatic hydrocarbons (PAHs). As PAHs are strong absorbers of UV radiation, they contribute to the heating of the discs photosphere, shielding…

Earth and Planetary Astrophysics · Physics 2025-10-01 K. Lange , C. Dominik , A. G. G. M. Tielens

Context. As revealed by high-resolution spectral investigations in the wavelength range between 300 and 400 nm, the interstellar extinction curve does not display any of the sharp electronic absorption bands that are characteristic for…

Mixtures of polycylic aromatic hydrocarbons (PAHs) have been produced by means of laser pyrolysis. The main fraction of the extracted PAHs were primarily medium-sized, up to a maximum size of 38 carbon atoms per molecule. The use of…

Instrumentation and Methods for Astrophysics · Physics 2011-01-24 M. Steglich , C. Jäger , G. Rouillé , F. Huisken , H. Mutschke , Th. Henning
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